N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide

C17H19Cl2N3OS2 — CID 71800806

IUPACN-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
SMILESCc1csc(SCC2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C17H19Cl2N3OS2/c1-11-9-24-17(20-11)25-10-12-4-6-22(7-5-12)16(23)21-13-2-3-14(18)15(19)8-13/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,23)
InChIKeyRNXHDZWPDQKMBD-UHFFFAOYSA-N
MW416.40 g/mol
LogP5.79
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide

N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide (PubChem CID 71800806) has the molecular formula C17H19Cl2N3OS2 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
PubChem CID71800806
Molecular FormulaC17H19Cl2N3OS2
Molecular Weight416.40 g/mol
Exact Mass415.03
IUPAC NameN-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
SMILESCc1csc(SCC2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C17H19Cl2N3OS2/c1-11-9-24-17(20-11)25-10-12-4-6-22(7-5-12)16(23)21-13-2-3-14(18)15(19)8-13/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,23)
InChIKeyRNXHDZWPDQKMBD-UHFFFAOYSA-N
XLogP5.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800814
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 138046894
(5-methyl-1,2-oxazol-3-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
CID 71800794
1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 71800793
methyl 2-chloro-5-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 3651660
2-[(1-cyclopropylsulfonylpiperidin-4-yl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 71800825
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole
CID 71800826
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957
N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71875420
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide (CID 71800806) is N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide is Cc1csc(SCC2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The InChIKey is RNXHDZWPDQKMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3OS2/c1-11-9-24-17(20-11)25-10-12-4-6-22(7-5-12)16(23)21-13-2-3-14(18)15(19)8-13/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71800806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).